4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine

C17H25Cl2N — CID 63407778

IUPAC4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H25Cl2N/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-4-5-14(18)10-15(12)19/h4-5,10,13H,6-9,11,20H2,1-3H3
InChIKeyYKLCFPYLQCQMHA-UHFFFAOYSA-N
MW314.30 g/mol
LogP5.47
Rot. Bonds2

About 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine

4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 63407778) has the molecular formula C17H25Cl2N and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
PubChem CID63407778
Molecular FormulaC17H25Cl2N
Molecular Weight314.30 g/mol
Exact Mass313.14
IUPAC Name4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H25Cl2N/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-4-5-14(18)10-15(12)19/h4-5,10,13H,6-9,11,20H2,1-3H3
InChIKeyYKLCFPYLQCQMHA-UHFFFAOYSA-N
XLogP5.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.30
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55186388
2-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 63408216
1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64753224
1-[(4-chloro-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 114853407
1-[(2,4-dichlorophenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705450
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
1-[(2,4-dichlorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961094
1-[(2,4-dichlorophenyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 70921617
4-tert-butyl-1-[(2,3-difluorophenyl)methyl]cyclohexan-1-amine
CID 63408034
1-[(2,4-dichlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 79333265
3-[(2,4-dichlorophenyl)methyl]oxolan-3-amine
CID 65020052
1-[(4-chloro-2-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 114853406

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine (CID 63407778) is 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine is CC(C)(C)C1CCC(N)(Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is YKLCFPYLQCQMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N/c1-16(2,3)13-6-8-17(20,9-7-13)11-12-4-5-14(18)10-15(12)19/h4-5,10,13H,6-9,11,20H2,1-3H3.
What are the key properties of 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine?
4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 314.30 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63407778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).